기본 정보
- CAS
6736-03-4- 표준 SMILES
CCOP(=O)(OCC)SCC[N+](C)(C)C- InChIKey
BJOLKYGKSZKIGU-UHFFFAOYSA-N- 분자식
- C9H23NO3PS+
- 평균 분자량
- 256.33 g/mol
- 단동위원소 질량
- 256.11362677
개요
Ecothiopate is the phosphorothioate obtained by formal condensation of diethyl phosphate with N,N,N-trimethyl-2-sulfanylethanaminium. An irreversible acetylcholinesterase inhibitor, its iodide salt is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor and a miotic. It is a quaternary ammonium ion, a member of phosphocholines and an organic thiophosphate.
이름 및 식별자
- 우선 이름
- Echothiophate
- IUPAC
- 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
- 영어명
- PHOSPHOLINE
- 분자식
- C9H23NO3PS+
- 분자량
- 256.32
이름 및 동의어
EchothiophateEcothiopateEcothiopatum6736-03-4Echothiophate ionEcothiopate cationEchothiophate cation0F350BVT6SBRN 1794025UNII-0F350BVT6SCHEBI:4753AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, S-ESTER with O,O-DIETHYLPHOSPHOROTHIOATE
이름 더 보기
2-(Diethoxyphosphinylthio)ethyltrimethylaminium2-[(Diethoxyphosphinyl)thio]-N,N,N-trimethylethanaminium
(2-diethoxyphosphinylthioethyl)trimethylammonium(2-Mercaptoethyl)trimethylammonium S-ester with O,O'-diethylphosphorothioateEthanaminium, 2-[(diethoxyphosphinyl)thio]-N,N,N-trimethyl-ETHANAMINIUM, 2-((DIETHOXYPHOSPHINYL)THIO)-N,N,N-TRIMETHYL-2-((diethoxyphosphoryl)sulfanyl)-N,N,N-trimethylethanaminium2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminiumRefChem:569672-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
데이터베이스 식별자
- CAS
6736-03-4- PubChem CID
- 10548
- ChEMBL
CHEMBL1201341- ChEBI
CHEBI:4753- UNII
- 0F350BVT6S
- Nikkaji
- J2.248I
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 60.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 15
- 형식 전하
- 1
- 복잡도
- 208
실험 및 물리화학적 성질
LogP-2.25
Solubility
Soluble
2.97e-01 g/L
Human DrugsBreast Feeding; Lactation; Cholinesterase Inhibitors; Miotics; Parasympathomimetics
Melting Point
124-124.5
138 °C
Physical DescriptionSolid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
약리 정보
ATC Code
S - Sensory organs
QS - Sensory organs
Pharmacodynamics
Echothiophate Iodide is a potent, long-acting cholinesterase inhibitor used as a miotic in the treatment of glaucoma. Echothiophate iodide will depress both plasma and erythrocyte cholinesterase levels in most patients after a few weeks of eyedrop therapy.
Mechanism of Action
Echothiophate Iodide is a long-acting cholinesterase inhibitor for topical use which enhances the effect of endogenously liberated acetylcholine in iris, ciliary muscle, and other parasympathetically innervated structures of the eye. Echothiophate iodide binds irreversibly to cholinesterase, and is long acting due to the slow rate of hydrolysis by cholinesterase. It causes miosis, increase in facility of outflow of aqueous humor, fall in intraocular pressure, and potentiation of accommodation.
FDA Pharmacological Classification
0F350BVT6S
ECHOTHIOPHATE
Established Pharmacologic Class [EPC] - Cholinesterase Inhibitor
Mechanisms of Action [MoA] - Cholinesterase Inhibitors
Chemical Structure [CS] - Iodine
Echothiophate is a Cholinesterase Inhibitor. The mechanism of action of echothiophate is as a Cholinesterase Inhibitor.
Absorption, Distribution and ExcretionThis ophthalmic medication may be systemically absorbed.
Cellular LocationsCytoplasm
응용 분야
용도Cholinergic (ophthalmic).
공급사3 곳
LGM Pharma1-(800)-881-8210 · [email protected]
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